SCHEMBL16953106

SCHEMBL16953106

C[C](CO)c1cccc(I)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ CES1 P23141 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16952462 0.86 CES2 (0.32) CES2BCHECES1
SCHEMBL16957594 0.80 — —
SCHEMBL16954240 0.80 CES2 (0.52) CES2BCHECES1
SCHEMBL16951301 0.79 CES2 (0.35) CES2BCHECES1
SCHEMBL16958119 0.79 KAT6A (0.44) CES2BCHECES1
SCHEMBL16950644 0.78 ADRB1 (0.39) CES2BCHECES1
SCHEMBL16953964 0.78 KAT6A (0.39) CES2BCHECES1
SCHEMBL16959071 0.77 CTSL (0.35) CES2BCHECES1
SCHEMBL16951855 0.77 TSHR (0.31) —
SCHEMBL16951986 0.77 PDCD1 (0.35) CES2BCHECES1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
Send feedback